Dear gromacs users/developers,
when trying to couple in a peptide into a membrane with:
; Define position restraints for peptide
define = -DPOSRES
; couple in peptide
free_energy = yes
init_lambda = 0.05
sc_alpha = 0.7
sc_power = 1
couple-moltype = Protein
couple-lambda0 = none
couple-lambda1 = vdw-q
grompp works fine, but mdrun (2 threads) gives me
Making 1D domain decomposition 1 x 1 x 2
*** glibc detected *** mdrun: realloc(): invalid next size:
0x00007f0f30305810 ***
and breaks up.
When running "mdrun -nt 1 " on only one thread, it works fine.
Is this a known bug?
Cheers
Sabine
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
